Product Name(Trifluoromethoxy)benzene
CAS456-55-3
Molecular FormulaC7H5F3O
Molecular Weight162.11
InChIInChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey GQHWSLKNULCZGI-UHFFFAOYSA-N
SmilesC1(OC(F)(F)F)=CC=CC=C1
Mass
MS-IW-8995 (trifluoromethoxy)benzene C7H5F3O (Mass of molecular ion: 162)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
37.0 1.8 38.0 4.4 39.0 15.3 50.0 4.4 51.0 5.1 62.0 1.7 63.0 5.0 64.0 3.2 65.0 49.9 66.0 3.0 69.0 13.2 70.0 1.3 74.0 1.3 75.0 1.8 76.0 1.3 77.0 14.9 78.0 1.0 84.0 1.0 93.0 17.8 94.0 1.3 95.0 2.2 96.0 13.1 134.0 1.2 162.0 100.0 163.0 7.8
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H5 F3 O | 0.05 ml : 0.5 ml CDCl3 |
(trifluoromethoxy)benzene |
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Assign. Shift(ppm) |
Hz ppm Int.
2953.74 7.391 140 2951.90 7.387 403 2951.17 7.385 489 2949.34 7.380 268 2946.66 7.374 192 2945.19 7.370 403 2943.97 7.367 1000 2943.48 7.366 923 2942.38 7.363 752 2940.80 7.359 207 2937.50 7.351 455 2935.79 7.346 911 2933.11 7.340 183 2911.13 7.285 292 2909.91 7.282 545 2908.69 7.279 342 2904.30 7.268 253 2902.47 7.263 658 2900.51 7.258 213 2898.56 7.253 41 2896.24 7.247 182 2895.14 7.245 296 2893.92 7.242 178 2883.54 7.216 677 2882.45 7.213 901 2881.47 7.210 783 2877.81 7.201 158 2875.85 7.196 464 2874.88 7.194 678 2873.78 7.191 716 2872.80 7.189 508
in CDCl3
liquid film
(Trifluoromethoxy)benzene(456-55-3) IR1 Atlas of Related Products
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